Geometry & MOs

Info

ID:	413250
PubChem CID:	135086197
Reduced:	ClN2O3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	326.0266
ΔH_f, kcal/mol:	-96.54
Dipole, Da:	4.55
IP(EA), eV:	-8.86(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(2,2-dimethoxyethyl)-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

COC(CNC(=O)C1=CC2=C(N1)C=CC(=C2)Cl)OC

DOS

IR

Vibrations